任意参考系的优化随机相位近似：极值条件和热力学相容性
Optimized random phase approximations for arbitrary reference systems: extremum conditions and thermodynamic consistence
摘要：
在生成泛函积分方程的框架下，重新研究了经典液体的优化无规相近似（ORPA）。我们表明，近似的两个主要变种对应于添加相同的校正到两个不同的一阶近似的均匀液体自由能。此外，我们表明，它是可以一贯使用的ORPA与任意参考系所描述的连续电位和相同的近似是等价于一个特定的极值条件，相应的生成功能。最后，通过对生成泛函的全局极值条件的要求，有可能加强热力学和维里路径之间的热力学一致性。
英文摘要：
The optimized random phase approximation (ORPA) for classical liquids is re-examined in the framework of the generating functional approach to the integral equations. We show that the two main variants of the approximation correspond to the addition of the same correction to two different first order approximations of the homogeneous liquid free energy. Furthermore, we show that it is possible to consistently use the ORPA with arbitrary reference systems described by continuous potentials and that the same approximation is equivalent to a particular extremum condition for the corresponding generating functional. Finally, it is possible to enforce the thermodynamic consistence between the thermal and the virial route to the equation of state by requiring the global extremum condition on the generating functional.
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